bis((2,2-dimethyl-1-methylazanidylbutyl)-methylazanide);methanone;ruthenium(6+)

C18H38N4O2Ru — CID 154626487

IUPACbis((2,2-dimethyl-1-methylazanidylbutyl)-methylazanide);methanone;ruthenium(6+)
SMILESCCC(C)(C)C([N-]C)[N-]C.CCC(C)(C)C([N-]C)[N-]C.[CH-]=O.[CH-]=O.[Ru+6]
InChIInChI=1S/2C8H18N2.2CHO.Ru/c2*1-6-8(2,3)7(9-4)10-5;2*1-2;/h2*7H,6H2,1-5H3;2*1H;/q2*-2;2*-1;+6
InChIKeyAZIJNICFUGVZJB-UHFFFAOYSA-N
MW443.60 g/mol
LogP4.96
Rot. Bonds8

About bis((2,2-dimethyl-1-methylazanidylbutyl)-methylazanide);methanone;ruthenium(6+)

bis((2,2-dimethyl-1-methylazanidylbutyl)-methylazanide);methanone;ruthenium(6+) (PubChem CID 154626487) has the molecular formula C18H38N4O2Ru and a molecular weight of 443.60 g/mol. Its IUPAC name is bis((2,2-dimethyl-1-methylazanidylbutyl)-methylazanide);methanone;ruthenium(6+).

Molecular Properties

Compound Namebis((2,2-dimethyl-1-methylazanidylbutyl)-methylazanide);methanone;ruthenium(6+)
PubChem CID154626487
Molecular FormulaC18H38N4O2Ru
Molecular Weight443.60 g/mol
Exact Mass444.20
IUPAC Namebis((2,2-dimethyl-1-methylazanidylbutyl)-methylazanide);methanone;ruthenium(6+)
SMILESCCC(C)(C)C([N-]C)[N-]C.CCC(C)(C)C([N-]C)[N-]C.[CH-]=O.[CH-]=O.[Ru+6]
InChIInChI=1S/2C8H18N2.2CHO.Ru/c2*1-6-8(2,3)7(9-4)10-5;2*1-2;/h2*7H,6H2,1-5H3;2*1H;/q2*-2;2*-1;+6
InChIKeyAZIJNICFUGVZJB-UHFFFAOYSA-N
XLogP4.96
TPSA90.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.60
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

bis(tert-butyl-(2,2-dimethyl-1-propan-2-ylazanidylbutyl)azanide);methanone;ruthenium(6+)
CID 154626385
methanone;bis(methyl-[1-(2-methylbutan-2-ylazanidyl)ethyl]azanide);ruthenium(6+)
CID 154626481
bis([2,2-dimethyl-1-(2-methylbutan-2-ylazanidyl)propyl]-(2-methylbutan-2-yl)azanide);methanone;ruthenium(6+)
CID 154626212
methanone;bis(methyl(1-methylazanidylbutyl)azanide);ruthenium(6+)
CID 154626171
bis(tert-butyl-[1-(2-methylbutan-2-ylazanidyl)propyl]azanide);methanone;ruthenium(6+)
CID 154626208
methanone;bis(methyl(1-propan-2-ylazanidylpropyl)azanide);ruthenium(6+)
CID 154626285
methanone;bis(methyl-(2-methyl-1-methylazanidylpropyl)azanide);ruthenium(6+)
CID 154626413
bis(ethyl-[1-(2-methylbutan-2-ylazanidyl)butyl]azanide);methanone;ruthenium(6+)
CID 154626467
2-ethyl-3,3-dimethylpentanal
CID 172617213
(2R)-2-hydroxy-3,3-dimethylpentanamide
CID 126746768
N-ethenyl-2,3,3-trimethylpentan-1-amine
CID 144685740
methanone;bis(2-methylbutan-2-yl-(2-methyl-1-propan-2-ylazanidylbutyl)azanide);ruthenium(6+)
CID 154626258

Frequently Asked Questions

What is the IUPAC name of bis((2,2-dimethyl-1-methylazanidylbutyl)-methylazanide);methanone;ruthenium(6+)?
The IUPAC name of bis((2,2-dimethyl-1-methylazanidylbutyl)-methylazanide);methanone;ruthenium(6+) (CID 154626487) is bis((2,2-dimethyl-1-methylazanidylbutyl)-methylazanide);methanone;ruthenium(6+).
What is the SMILES notation for bis((2,2-dimethyl-1-methylazanidylbutyl)-methylazanide);methanone;ruthenium(6+)?
The canonical SMILES for bis((2,2-dimethyl-1-methylazanidylbutyl)-methylazanide);methanone;ruthenium(6+) is CCC(C)(C)C([N-]C)[N-]C.CCC(C)(C)C([N-]C)[N-]C.[CH-]=O.[CH-]=O.[Ru+6].
What is the InChIKey of bis((2,2-dimethyl-1-methylazanidylbutyl)-methylazanide);methanone;ruthenium(6+)?
The InChIKey is AZIJNICFUGVZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H18N2.2CHO.Ru/c2*1-6-8(2,3)7(9-4)10-5;2*1-2;/h2*7H,6H2,1-5H3;2*1H;/q2*-2;2*-1;+6.
What are the key properties of bis((2,2-dimethyl-1-methylazanidylbutyl)-methylazanide);methanone;ruthenium(6+)?
bis((2,2-dimethyl-1-methylazanidylbutyl)-methylazanide);methanone;ruthenium(6+) has a molecular weight of 443.60 g/mol, XLogP of 4.96, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2,2-dimethyl-1-methylazanidylbutyl)-methylazanide);methanone;ruthenium(6+) is sourced from PubChem (CID 154626487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).